methyl 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: methyl 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: methyl 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NC(CC2=C1)C(=O)OC)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(NC(CC2=C1)C(=O)OC)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C20H21NO6/c1-23-16-8-12-6-14(20(22)25-3)21-19(13(12)9-17(16)24-2)11-4-5-15-18(7-11)27-10-26-15/h4-5,7-9,14,19,21H,6,10H2,1-3H3